N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide

C16H13ClFN3O2S — CID 2813992

IUPACN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2S/c1-21-16(10-15(19-21)11-2-4-12(17)5-3-11)20-24(22,23)14-8-6-13(18)7-9-14/h2-10,20H,1H3
InChIKeyWZPKGUXVQAJXHO-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.68
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide

N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 2813992) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID2813992
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC NameN-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O2S/c1-21-16(10-15(19-21)11-2-4-12(17)5-3-11)20-24(22,23)14-8-6-13(18)7-9-14/h2-10,20H,1H3
InChIKeyWZPKGUXVQAJXHO-UHFFFAOYSA-N
XLogP3.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide (CID 2813992) is N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide is Cn1nc(-c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is WZPKGUXVQAJXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-21-16(10-15(19-21)11-2-4-12(17)5-3-11)20-24(22,23)14-8-6-13(18)7-9-14/h2-10,20H,1H3.
What are the key properties of N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide?
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 365.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2813992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).